Electronic structure of non-centrosymmetric Ag2HgSnS4 single crystal

• Published in: Optical materials Vol. 36; no. 5; pp. 977 - 981
• Main Authors: Bozhko, V.V., Tretyak, A.P., Parasyuk, O.V., Ocheretova, V.A., Khyzhun, O.Y.
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier B.V 01.03.2014; Elsevier
• Subjects: Bands; Chalcogenide crystals; Crystal growth; Electronic structure; Emission; Exact sciences and technology; Fundamental areas of phenomenology (including applications); Optical materials; Optics; Physics; Silver; Single crystals; Spectra; Surface layer; Valence band; X-ray emission spectroscopy; X-ray photoelectron spectroscopy; X-rays; Crystal growth; Electronic structure; X-ray emission spectroscopy; X-ray photoelectron spectroscopy; Chalcogenide crystals; Chalcogenides; Monocrystals; X radiation; Optical materials; Mercury; X ray emission; Bridgman method; Crystal growth from melts; X-ray photoelectron spectra
• ISSN: 0925-3467; 1873-1252
• DOI: 10.1016/j.optmat.2014.01.005

•High-quality Ag2HgSnS4 single crystal has been synthesized.•Electronic structure of Ag2HgSnS4 has been studied by XPS and XES.•XPS data reveal low hygroscopicity of Ag2HgSnS4 surface.•Ag 4d states contribute predominantly in the central portion of the valence band.•S 3p states contribute mainly in the central and upper portions of the valence band. X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces of Ag2HgSnS4 single crystal grown by the Bridgman–Stockbarger technique have been measured in the present work. Ag2HgSnS4 single-crystalline surface was found to be sensitive to Ar+ ion-bombardment: significant modification in top surface layers was induced leading to abrupt decreasing the content of mercury atoms in the layers. X-ray emission bands representing the energy distribution of the valence Ag d and S p states were recorded. S 3p states contribute predominantly in the central and upper portions of the valence band, with significant contributions in the lower portion of the valence band of the Ag2HgSnS4 single crystal. Ag 4d states contribute mainly in the central portion of the valence band of the compound under consideration.